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148455-50-9 | 3,5-Pyridinedicarboxylic acid, 4-(3-chlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-ethyl ester
CAS No: 148455-50-9 Catalog No: AG001KXO MDL No:
Product Description
Catalog Number:
AG001KXO
Chemical Name:
3,5-Pyridinedicarboxylic acid, 4-(3-chlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-ethyl ester
CAS Number:
148455-50-9
Molecular Formula:
C17H17ClNO4-
Molecular Weight:
334.7742
IUPAC Name:
4-(3-chlorophenyl)-5-ethoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
InChI:
InChI=1S/C17H18ClNO4/c1-4-23-17(22)14-10(3)19-9(2)13(16(20)21)15(14)11-6-5-7-12(18)8-11/h5-8,15,19H,4H2,1-3H3,(H,20,21)
InChI Key:
NQDWZIVMDCMDJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)Cl)C(=O)[O-])C
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.784g/mol
Monoisotopic Mass:
335.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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